2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(p-tolyl)propanoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[3-(4-methylphenyl)-1-oxopropyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[3-(p-tolyl)propanoyl]piperazino]acetic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C16H22N2O3/c1-13-2-4-14(5-3-13)6-7-15(19)18-10-8-17(9-11-18)12-16(20)21/h2-5H,6-12H2,1H3,(H,20,21)